6SEM

Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	152.961, 147.776, 144.931
Unit cell angles	90.00, 96.91, 90.00

Refinement procedure

Resolution	48.400 - 2.800
R-factor	0.21274
Rwork	0.210
R-free	0.25581
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nmw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.054	0.850
Number of reflections	48490	2425
<I/σ(I)>	13.7	0.85
Completeness [%]	93.6	76.9
Redundancy	3	2.7
CC(1/2)	0.999	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 4000, HEPES